79-93-6

• 常用中文名：非那二醇
• 常用英文名：Phenaglycodol
• CAS号：79-93-6
• 分子式：C₁₁H₁₅ClO₂
• 分子量：214.69
• 相关类别： 研究领域 神经疾病
• 发布时间：2018-08-22 23:02:17
• 更新时间：2024-01-14 16:39:37
• Phenaglycodol 属于丁二醇类,具有抗焦虑和抗惊厥的特性。Phenaglycodol 具有口服生物活性 [1]。

名称

• 中文名: 非那二醇
• 英文名: 2-(4-chlorophenyl)-3-methylbutane-2,3-diol
• 英文别名: Felixyn; Acalmid; Alterton; Phenglykodol; Sedapsin; Pausital; Atadiol; Fenaglicodolo; Sinforil; Phenaglycodol

物化性质

• 分子式: C₁₁H₁₅ClO₂
• 分子量: 214.69
• 精确质量: 214.07600
• PSA: 40.46000
• LogP: 2.31840
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积:40.5

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:198

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: Phenaglycodol 属于丁二醇类,具有抗焦虑和抗惊厥的特性。Phenaglycodol 具有口服生物活性 [1]。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 神经疾病
• 参考文献:

  [1]. G T JONES, et al. Mode of action of phenaglycodol, a new neurosedative agent. Proc Soc Exp Biol Med. 1956 Dec;93(3):528-31.

  [2]. R. KATO, et al. Induced Increase o f M eprobam ate M etabolism in R ats T reated w ith P hénobarbital or Phenaglycodol. Pharmacology (1970) 3 (2): 95–100.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : EK1050000 CHEMICAL NAME : 2,3-Butanediol, 2-(p-chlorophenyl)-3-methyl- CAS REGISTRY NUMBER : 79-93-6 BEILSTEIN REFERENCE NO. : 2209509 LAST UPDATED : 199612 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C11-H15-Cl-O2 MOLECULAR WEIGHT : 214.71 WISWESSER LINE NOTATION : QX1&1&XQ1&R DG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 832 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 514 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,401,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 358 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,401,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 254 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,401,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - wild bird species DOSE/DURATION : 32 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972

合成路线

99-91-2 67-64-1 ~39% 79-93-6

文献：Maekawa, Hirofumi; Yamamoto, Yoshimasa; Shimada, Hisashi; Yonemura, Kazuaki; Nishiguchi, Ikuzo Tetrahedron Letters, 2004 , vol. 45, # 20 p. 3869 - 3872

917-64-6 ~% 79-93-6

文献：E. Lilly and Co. Patent: GB788896 , 1958 ;

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